Amifostine trihydrateProduct ingredient for Amifostine
- Name
- Amifostine trihydrate
- Drug Entry
- Amifostine
A phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia.
- Accession Number
- DBSALT001833
- Structure
Structure for Amifostine trihydrate (DBSALT001833)
- Synonyms
- Amifostine disulfide
- UNII
- M487QF2F4V
- CAS Number
- 112901-68-5
- Weight
- Average: 268.26
Monoisotopic: 268.085794576 - Chemical Formula
- C5H21N2O6PS
- InChI Key
- TXQPXJKRNHJWAX-UHFFFAOYSA-N
- InChI
- InChI=1S/C5H15N2O3PS.3H2O/c6-2-1-3-7-4-5-12-11(8,9)10;;;/h7H,1-6H2,(H2,8,9,10);3*1H2
- IUPAC Name
- ({2-[(3-aminopropyl)amino]ethyl}sulfanyl)phosphonic acid trihydrate
- SMILES
- O.O.O.NCCCNCCSP(O)(O)=O
- External Links
- ChemSpider
- 130594
- Predicted Properties
Property Value Source Water Solubility 18.7 mg/mL ALOGPS logP -1.4 ALOGPS logP -3.7 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 2.06 Chemaxon pKa (Strongest Basic) 11.01 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 95.58 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 51.28 m3·mol-1 Chemaxon Polarizability 21.01 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon